REMARK  Name = BDB037121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.606  -0.300  -0.716  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1        1.190   0.727  -1.466  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1        0.940   1.702  -1.343  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        1.081  -1.420  -0.624  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -2.620   1.445   0.313  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1       -2.909   0.765   1.510  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -2.063  -0.276   1.933  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -0.933  -0.619   1.194  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -0.629   0.078   0.022  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -1.478   1.104  -0.422  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -3.365   3.015  -1.331  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -3.510   2.424  -0.045  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1       -4.135   1.092   2.333  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -5.226   0.171   2.047  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -5.427  -0.906   2.838  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -6.498  -1.496   2.299  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -6.991  -0.798   1.182  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -6.152   0.282   1.047  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1        2.510   0.535  -2.470  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1        2.106  -0.376  -3.516  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        2.932   1.888  -2.775  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.756  -0.160  -1.419  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1        4.469  -1.306  -1.766  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1        5.452  -1.797  -0.900  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1        5.700  -1.167   0.322  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1        4.981  -0.022   0.691  0.00  0.00    +0.057 A 
ATOM     27  C   LIG    1        4.019   0.486  -0.198  0.00  0.00    +0.045 A 
BRANCH  26  28
ATOM     28  C   LIG    1        5.266   0.679   1.997  0.00  0.00    +0.417 C 
ATOM     29  F   LIG    1        6.227   1.633   1.874  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        4.170   1.314   2.503  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        5.691  -0.164   2.977  0.00  0.00    -0.166 F 
ENDBRANCH  26  28
BRANCH  23  32
ATOM     32  O   LIG    1        4.322  -1.913  -2.980  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1        3.570  -3.122  -2.858  0.00  0.00    +0.277 C 
ENDBRANCH  23  32
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 8